2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol

C22H27NO2 — CID 59101168

IUPAC2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol
SMILESCC(C)(C)C1=N[C@H](C(O)(Cc2ccccc2)Cc2ccccc2)CO1
InChIInChI=1S/C22H27NO2/c1-21(2,3)20-23-19(16-25-20)22(24,14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,19,24H,14-16H2,1-3H3/t19-/m0/s1
InChIKeyDPAJGPPSVUURML-IBGZPJMESA-N
MW337.46 g/mol
LogP4.05
Rot. Bonds5

About 2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol

2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol (PubChem CID 59101168) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol.

Molecular Properties

Compound Name2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol
PubChem CID59101168
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol
SMILESCC(C)(C)C1=N[C@H](C(O)(Cc2ccccc2)Cc2ccccc2)CO1
InChIInChI=1S/C22H27NO2/c1-21(2,3)20-23-19(16-25-20)22(24,14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,19,24H,14-16H2,1-3H3/t19-/m0/s1
InChIKeyDPAJGPPSVUURML-IBGZPJMESA-N
XLogP4.05
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol?
The IUPAC name of 2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol (CID 59101168) is 2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol.
What is the SMILES notation for 2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol?
The canonical SMILES for 2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol is CC(C)(C)C1=N[C@H](C(O)(Cc2ccccc2)Cc2ccccc2)CO1.
What is the InChIKey of 2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol?
The InChIKey is DPAJGPPSVUURML-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27NO2/c1-21(2,3)20-23-19(16-25-20)22(24,14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,19,24H,14-16H2,1-3H3/t19-/m0/s1.
What are the key properties of 2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol?
2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol has a molecular weight of 337.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol is sourced from PubChem (CID 59101168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).